1-ethylpyrrolidin-3-ol;hydrochloride

C6H14ClNO — CID 174666123

IUPAC1-ethylpyrrolidin-3-ol;hydrochloride
SMILESCCN1CCC(O)C1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-7-4-3-6(8)5-7;/h6,8H,2-5H2,1H3;1H
InChIKeyVHKREUDJGXPBGQ-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.49
Rot. Bonds1

About 1-ethylpyrrolidin-3-ol;hydrochloride

1-ethylpyrrolidin-3-ol;hydrochloride (PubChem CID 174666123) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-ethylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-ethylpyrrolidin-3-ol;hydrochloride
PubChem CID174666123
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-ethylpyrrolidin-3-ol;hydrochloride
SMILESCCN1CCC(O)C1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-2-7-4-3-6(8)5-7;/h6,8H,2-5H2,1H3;1H
InChIKeyVHKREUDJGXPBGQ-UHFFFAOYSA-N
XLogP0.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-hydroxypyrrolidin-1-yl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-ethylpyrrolidin-3-ol;hydrochloride (CID 174666123) is 1-ethylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-ethylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-ethylpyrrolidin-3-ol;hydrochloride is CCN1CCC(O)C1.Cl.
What is the InChIKey of 1-ethylpyrrolidin-3-ol;hydrochloride?
The InChIKey is VHKREUDJGXPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-2-7-4-3-6(8)5-7;/h6,8H,2-5H2,1H3;1H.
What are the key properties of 1-ethylpyrrolidin-3-ol;hydrochloride?
1-ethylpyrrolidin-3-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 174666123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).